Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | PTAFR | P25105 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18139066 | 1.00 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL18140435 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL18141475 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| Potassium Ion SCHEMBL18140607 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| Lithium Ion SCHEMBL18139459 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| Lithium Ion SCHEMBL18140320 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| Potassium Ion SCHEMBL18139687 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL18140774 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL18139544 | 0.97 | THRB (0.56) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL18139754 | 0.95 | THRB (0.52) | THRBTSHRALDH1A1POLBAPEX1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180163056-A1 | HYDROPHILIC CURABLE COMPOSITIONS | MITSUI CHEMICALS, INC. (JP) | 2018-06-14 | — | — | US | disclosed |
| US-20180036995-A1 | HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME | MITSUI CHEMICALS, INC. (JP) | 2018-02-08 | — | — | US | disclosed |
| EP-3270192-A1 | HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF | Mitsui Chemicals, Inc. (JP) | 2018-01-17 | — | — | EP | disclosed |
| EP-3081578-A1 | COMPOSITION FOR HYDROPHILIC CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2016-10-19 | — | — | EP | disclosed |